[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate

C40H44F2N8O7 — CID 166471924

IUPAC[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C40H44F2N8O7/c1-22(2)56-34-19-32-24(16-28(34)38(53)44-31-4-3-11-49(39(31)54)33-18-29(33)41)21-50(46-32)25-7-12-48(13-8-25)40(55)57-26-9-14-47(15-10-26)36-30(42)17-23(20-43-36)27-5-6-35(51)45-37(27)52/h3-4,11,16-17,19-22,25-27,29,33H,5-10,12-15,18H2,1-2H3,(H,44,53)(H,45,51,52)/t27?,29-,33+/m1/s1
InChIKeyBEHJKKBMFZNYKV-CMNOXULISA-N
MW786.84 g/mol
LogP5.02
Rot. Bonds9

About [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate

[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate (PubChem CID 166471924) has the molecular formula C40H44F2N8O7 and a molecular weight of 786.84 g/mol. Its IUPAC name is [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
PubChem CID166471924
Molecular FormulaC40H44F2N8O7
Molecular Weight786.84 g/mol
Exact Mass786.33
IUPAC Name[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C40H44F2N8O7/c1-22(2)56-34-19-32-24(16-28(34)38(53)44-31-4-3-11-49(39(31)54)33-18-29(33)41)21-50(46-32)25-7-12-48(13-8-25)40(55)57-26-9-14-47(15-10-26)36-30(42)17-23(20-43-36)27-5-6-35(51)45-37(27)52/h3-4,11,16-17,19-22,25-27,29,33H,5-10,12-15,18H2,1-2H3,(H,44,53)(H,45,51,52)/t27?,29-,33+/m1/s1
InChIKeyBEHJKKBMFZNYKV-CMNOXULISA-N
XLogP5.02
TPSA169.99 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.84
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167308702
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471952
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxamide
CID 169223724
2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 166472178
2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167136925
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 172879121
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
N-[1-[(1R,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 167137250
2-cyclohexyl-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide;cyclopropane;3-[(5-fluoro-3-pyridinyl)amino]piperidine-2,6-dione;1-methylpiperidin-3-ol
CID 166472266
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde
CID 171774160
2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227839

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate (CID 166471924) is [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate is CC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate?
The InChIKey is BEHJKKBMFZNYKV-CMNOXULISA-N. The full InChI is InChI=1S/C40H44F2N8O7/c1-22(2)56-34-19-32-24(16-28(34)38(53)44-31-4-3-11-49(39(31)54)33-18-29(33)41)21-50(46-32)25-7-12-48(13-8-25)40(55)57-26-9-14-47(15-10-26)36-30(42)17-23(20-43-36)27-5-6-35(51)45-37(27)52/h3-4,11,16-17,19-22,25-27,29,33H,5-10,12-15,18H2,1-2H3,(H,44,53)(H,45,51,52)/t27?,29-,33+/m1/s1.
What are the key properties of [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate?
[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate has a molecular weight of 786.84 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 166471924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).